UCSF

ZINC13118651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 15 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.56 1.42 -11.19 2 5 0 84 210.185 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101645-1-O Amaranthus Hypochondriacus (cluster #1 Of 1), Other Other 6800 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101645 Z101645 Amaranthus Hypochondriacus 6800 0.48 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )